Monomers
Acenaphthylene
Identifiers
IUPAC name
acenaphthylene
InchI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
InchI Key
HXGDTGSAIMULJN-UHFFFAOYSA-N
SMILES
c1cc2cccc3c2c(c1)C=C3
Canonical SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Isomeric SMILES
C1=CC2=C3C(=C1)C=CC3=CC=C2
Resources
Structures
2D Structure
3D Structure
Molecular Formula and Computed Descriptors
Molecular Formula
C12H8
Heavy Atom Count
12
Molecular Weight
152.196
Exact Molecular Weight
152.0626
Valence Electrons
56
Radical Electrons
0
tPSA
0.0
MolLogP
3.3236
H Bond Acceptors
0
H Bond Donors
0
Aliphatic Carbocycles
1
Aromatic Carbocycles
2
Aliphatic Heterocycles
0
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
2
MOL File
RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
-0.3428 2.6085 -0.0504 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9127 2.0242 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9818 0.6318 0.0269 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1606 -0.0757 0.0805 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1132 -1.4725 0.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9418 -2.2005 0.0665 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2422 -1.4798 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1783 -0.1043 -0.0051 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4371 0.4507 -0.0593 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4880 1.8250 -0.0811 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3521 -0.6812 -0.0765 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.6723 -1.8225 -0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3902 3.6886 -0.0679 H 0 0 0 0 0 0 0 0 0 0 0 0
1.8171 2.6087 0.0289 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0743 0.4828 0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0
3.0418 -2.0279 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9338 -3.2770 0.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4523 2.2816 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0
-3.4165 -0.6118 -0.1166 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.0055 -2.8488 -0.0323 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 2 0
10 1 1 0
8 3 1 0
12 7 1 0
1 13 1 0
2 14 1 0
4 15 1 0
5 16 1 0
6 17 1 0
10 18 1 0
11 19 1 0
12 20 1 0
M END
Similar Monomers
Structure
Similarity
IUPAC name
MF
Copolymers